2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

C15H16N2S — CID 169281098

IUPAC2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cccc1-c1cccs1
InChIInChI=1S/C15H16N2S/c1-11-12(10-15-16-7-8-17-15)4-2-5-13(11)14-6-3-9-18-14/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyAWYKBZZJBJKUBY-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.27
Rot. Bonds3

About 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 169281098) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID169281098
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cccc1-c1cccs1
InChIInChI=1S/C15H16N2S/c1-11-12(10-15-16-7-8-17-15)4-2-5-13(11)14-6-3-9-18-14/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyAWYKBZZJBJKUBY-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28688
Metizoline Hydrochloride
CID 68629
2-[2-(2-Thiophen-3-yl-phenyl)-ethyl]-4,5-dihydro-1H-imidazole
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2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
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2-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4,5-dihydro-1H-imidazole
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2-Imidazoline, 2-(4-dibenzothienylmethyl)-, monohydrochloride
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N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 12280934
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
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N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 12280938
N-[phenyl(thiophen-2-yl)methyl]-1-azacyclotridecen-2-amine;hydrochloride
CID 12280940
2-(5-phenylthiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 16082799
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12280935

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 169281098) is 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1c(CC2=NCCN2)cccc1-c1cccs1.
What is the InChIKey of 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is AWYKBZZJBJKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-12(10-15-16-7-8-17-15)4-2-5-13(11)14-6-3-9-18-14/h2-6,9H,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 256.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-thiophen-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 169281098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).